MassBank Record: MSJ01082



 Aldrin; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01082
RECORD_TITLE: Aldrin; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2016.12.28)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Aldrin CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H8Cl6 CH$EXACT_MASS: 361.87572 CH$SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl CH$IUPAC: InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11- CH$LINK: INCHIKEY QBYJBZPUGVGKQQ-SJJAEHHWSA-N CH$LINK: PUBCHEM CID:12310947 CH$LINK: COMPTOX DTXSID8020040
AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu AC$INSTRUMENT_TYPE: GC-EI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION EI AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min) AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C AC$CHROMATOGRAPHY: RETENTION_TIME 10.4 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 361.9
PK$SPLASH: splash10-02t9-7490000000-f6dbff487e9087cf79cf PK$NUM_PEAK: 194 PK$PEAK: m/z int. rel.int. 40 87 87 41 27 27 44 25 25 49 7 7 50 23 23 51 62 62 52 16 16 53 14 14 61 10 10 62 27 27 63 57 57 64 12 12 65 258 258 66 999 999 67 80 80 68 6 6 72 7 7 73 31 31 74 37 37 75 89 89 76 15 15 77 97 97 78 23 23 79 424 424 80 37 37 81 7 7 83 13 13 84 9 9 85 35 35 86 31 31 87 19 19 89 19 19 90 10 10 91 410 410 92 133 133 93 47 47 94 16 16 96 11 11 97 35 35 98 29 29 99 31 31 100 27 27 101 342 342 102 37 37 103 112 112 104 9 9 107 35 35 108 21 21 109 44 44 110 78 78 111 74 74 112 20 20 113 54 54 114 17 17 115 32 32 116 17 17 117 19 19 119 21 21 120 19 19 121 29 29 122 12 12 123 19 19 124 7 7 125 25 25 126 20 20 127 39 39 128 24 24 129 17 17 130 16 16 131 14 14 132 17 17 133 30 30 134 11 11 135 20 20 137 16 16 139 13 13 141 21 21 143 40 40 144 7 7 145 31 31 146 21 21 147 26 26 148 14 14 149 23 23 150 52 52 151 48 48 152 65 65 153 8 8 156 7 7 157 13 13 159 15 15 160 20 20 161 13 13 162 10 10 165 8 8 167 15 15 169 13 13 170 11 11 171 9 9 173 9 9 179 9 9 180 7 7 181 17 17 182 7 7 183 25 25 184 11 11 185 20 20 186 98 98 187 39 39 188 33 33 189 11 11 191 50 50 193 57 57 194 19 19 195 27 27 196 18 18 197 12 12 201 10 10 203 11 11 205 13 13 206 7 7 207 12 12 209 7 7 214 32 32 215 8 8 216 42 42 217 54 54 218 32 32 219 49 49 220 89 89 221 94 94 222 62 62 223 46 46 224 27 27 225 18 18 226 14 14 227 40 40 228 27 27 229 51 51 230 31 31 231 25 25 232 22 22 233 10 10 235 15 15 237 26 26 239 21 21 241 13 13 243 9 9 248 35 35 249 20 20 250 52 52 251 54 54 252 40 40 253 43 43 254 18 18 255 123 123 256 88 88 257 137 137 258 84 84 259 66 66 260 34 34 261 306 306 262 78 78 263 495 495 264 104 104 265 326 326 266 80 80 267 116 116 268 28 28 269 23 23 270 7 7 290 6 6 291 163 163 292 33 33 293 204 204 294 39 39 295 114 114 296 90 90 297 23 23 298 133 133 299 15 15 300 118 118 301 12 12 302 48 48 304 9 9 326 9 9 327 35 35 328 21 21 329 48 48 330 16 16 331 34 34 333 7 7 364 8 8 366 7 7 //

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